2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide

C16H26N2O2 — CID 63062524

IUPAC2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(CNC(C)(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12(15(19)18(5)6)20-14-9-7-13(8-10-14)11-17-16(2,3)4/h7-10,12,17H,11H2,1-6H3
InChIKeyLZLNBTVFHUYLRH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide

2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 63062524) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID63062524
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(CNC(C)(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12(15(19)18(5)6)20-14-9-7-13(8-10-14)11-17-16(2,3)4/h7-10,12,17H,11H2,1-6H3
InChIKeyLZLNBTVFHUYLRH-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 43085576
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
CID 107696657
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
CID 43276886
2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 43504470
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 63062524) is 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide is CC(Oc1ccc(CNC(C)(C)C)cc1)C(=O)N(C)C.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is LZLNBTVFHUYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(15(19)18(5)6)20-14-9-7-13(8-10-14)11-17-16(2,3)4/h7-10,12,17H,11H2,1-6H3.
What are the key properties of 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63062524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).